==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 05-OCT-11 3U3H . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES RUBIGINOSUS; . AUTHOR K.N.ALLEN,N.R.SILVAGGI,M.M.TOTEVA,J.P.RICHARD . 386 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 38.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 1 2 0 1 1 2 0 0 1 1 0 0 0 1 0 1 0 1 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A N 0 0 135 0, 0.0 310,-0.1 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 51.0 40.9 87.1 86.5 2 3 A Y + 0 0 57 1,-0.2 308,-0.2 308,-0.1 309,-0.1 0.878 360.0 173.1 56.4 45.9 38.8 87.4 83.4 3 4 A Q - 0 0 129 307,-0.1 -1,-0.2 1,-0.0 2,-0.1 -0.759 24.1-135.7 -92.0 121.0 37.6 83.8 83.5 4 5 A P - 0 0 20 0, 0.0 43,-0.1 0, 0.0 303,-0.1 -0.431 21.5-175.5 -76.2 149.1 34.9 83.0 81.0 5 6 A T > - 0 0 61 -2,-0.1 3,-2.5 1,-0.0 5,-0.3 -0.918 44.5 -97.0-132.4 164.9 31.8 81.0 81.8 6 7 A P G > S+ 0 0 65 0, 0.0 3,-2.0 0, 0.0 42,-0.1 0.794 117.4 71.2 -54.1 -29.5 29.0 79.8 79.5 7 8 A E G 3 S+ 0 0 159 1,-0.3 40,-0.1 2,-0.1 41,-0.0 0.738 86.1 66.7 -58.1 -23.3 26.9 82.8 80.4 8 9 A D G < S- 0 0 40 -3,-2.5 -1,-0.3 38,-0.2 275,-0.2 0.570 102.8-133.9 -75.0 -8.6 29.3 85.0 78.3 9 10 A R < + 0 0 58 -3,-2.0 274,-3.4 -4,-0.3 2,-0.5 0.867 40.0 169.0 55.6 45.1 28.1 83.1 75.2 10 11 A F E +a 283 0A 1 -5,-0.3 38,-3.1 36,-0.3 39,-1.5 -0.751 7.9 178.8 -83.4 128.0 31.5 82.5 73.7 11 12 A T E -ab 284 49A 0 272,-2.3 274,-2.8 -2,-0.5 2,-0.3 -0.895 12.8-161.5-130.8 160.7 31.3 80.0 70.8 12 13 A F E -ab 285 50A 0 37,-1.3 39,-1.7 -2,-0.3 2,-0.2 -1.000 22.6-116.2-141.3 141.3 33.9 78.5 68.4 13 14 A G E >> - b 0 51A 0 272,-1.4 3,-1.8 -2,-0.3 4,-0.8 -0.483 23.6-127.3 -71.2 145.9 33.7 76.8 65.1 14 15 A L H 3> S+ 0 0 10 37,-2.5 4,-1.2 1,-0.3 -1,-0.1 0.861 112.1 58.3 -55.6 -34.7 34.9 73.2 65.0 15 16 A W H 34 S+ 0 0 37 36,-0.2 -1,-0.3 2,-0.2 37,-0.1 0.456 97.5 63.5 -77.2 -3.1 37.2 74.3 62.1 16 17 A T H X4 S+ 0 0 0 -3,-1.8 3,-2.1 2,-0.2 -2,-0.1 0.938 115.5 22.9 -85.4 -76.3 38.9 76.9 64.3 17 18 A V H 3< S+ 0 0 2 -4,-0.8 -2,-0.2 1,-0.3 -3,-0.1 0.775 125.1 59.8 -59.5 -26.1 40.6 74.9 67.0 18 19 A G T 3< S+ 0 0 19 -4,-1.2 15,-0.3 -5,-0.4 2,-0.3 0.423 73.1 127.0 -82.6 1.5 40.4 72.0 64.5 19 20 A W < - 0 0 51 -3,-2.1 -3,-0.1 268,-0.2 -4,-0.0 -0.436 49.3-155.8 -65.1 123.9 42.5 73.8 61.9 20 21 A Q - 0 0 51 -2,-0.3 9,-2.3 9,-0.1 10,-1.9 0.535 40.2-108.7 -79.9 -9.7 45.3 71.5 60.9 21 22 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.582 60.9 153.3 95.7 11.2 47.6 74.3 59.7 22 23 A R + 0 0 141 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.595 14.5 168.7 -71.9 131.0 47.6 73.9 55.9 23 24 A D B > -J 26 0B 64 3,-1.6 3,-1.5 -2,-0.3 5,-0.0 -0.724 53.7 -82.9-132.3-177.8 48.3 77.1 54.2 24 25 A P T 3 S+ 0 0 123 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 0.729 130.1 29.6 -66.4 -18.9 49.1 77.8 50.5 25 26 A F T 3 S+ 0 0 204 1,-0.1 2,-0.4 2,-0.1 -3,-0.0 0.193 116.5 63.2-118.6 13.3 52.7 77.1 51.0 26 27 A G B < -J 23 0B 13 -3,-1.5 -3,-1.6 0, 0.0 3,-0.1 -0.998 64.9-130.7-151.0 140.5 52.6 74.5 53.8 27 28 A D - 0 0 136 -2,-0.4 -2,-0.1 -5,-0.2 -4,-0.0 -0.287 56.0 -66.0 -77.8 168.8 51.4 71.1 54.8 28 29 A A - 0 0 35 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.261 37.4-171.3 -55.9 142.4 49.5 70.4 58.0 29 30 A T S S+ 0 0 62 -9,-2.3 2,-0.3 1,-0.1 -8,-0.2 0.465 70.2 45.8-110.3 -7.0 51.3 70.9 61.3 30 31 A R S S- 0 0 27 -10,-1.9 -1,-0.1 264,-0.1 -8,-0.1 -0.983 83.7-110.5-136.0 148.6 48.6 69.3 63.6 31 32 A R - 0 0 140 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.326 46.6 -90.2 -67.3 156.2 46.5 66.1 63.4 32 33 A A - 0 0 58 1,-0.1 2,-0.4 -12,-0.0 -1,-0.1 -0.388 42.3-130.9 -63.3 143.9 42.8 66.4 62.8 33 34 A L - 0 0 29 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.1 -0.799 11.6-122.2 -97.6 141.1 40.6 66.7 66.0 34 35 A D >> - 0 0 60 -2,-0.4 4,-1.7 1,-0.1 3,-1.1 -0.685 24.6-129.7 -71.2 127.5 37.6 64.6 66.7 35 36 A P H 3> S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.827 107.8 61.9 -49.5 -33.2 34.7 67.1 67.2 36 37 A V H 3> S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.896 103.8 47.1 -60.2 -42.5 33.9 65.3 70.5 37 38 A E H <> S+ 0 0 38 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.855 111.1 51.8 -70.2 -33.3 37.3 66.2 71.9 38 39 A S H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.917 107.9 51.4 -66.2 -42.9 37.0 69.8 70.7 39 40 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.935 113.4 45.5 -59.3 -45.7 33.6 70.1 72.4 40 41 A R H X S+ 0 0 109 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.936 114.5 46.0 -63.5 -47.8 35.0 68.8 75.7 41 42 A R H X S+ 0 0 55 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.902 113.4 49.4 -65.9 -40.6 38.2 71.0 75.6 42 43 A L H <>S+ 0 0 0 -4,-2.7 5,-2.3 1,-0.2 4,-0.4 0.915 109.6 51.8 -63.8 -42.0 36.2 74.1 74.7 43 44 A A H ><5S+ 0 0 28 -4,-2.2 3,-1.6 -5,-0.3 -1,-0.2 0.912 105.9 55.1 -58.5 -42.2 33.7 73.4 77.5 44 45 A E H 3<5S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.808 105.4 53.4 -62.4 -29.2 36.6 73.1 80.0 45 46 A L T 3<5S- 0 0 44 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.519 127.2 -98.9 -80.9 -7.6 37.9 76.6 78.9 46 47 A G T < 5 + 0 0 9 -3,-1.6 -36,-0.3 -4,-0.4 -38,-0.2 0.569 67.7 156.0 99.0 10.9 34.4 78.1 79.6 47 48 A A < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.1 -36,-0.2 -0.309 37.3-149.1 -63.8 156.8 32.9 78.2 76.2 48 49 A H - 0 0 39 -38,-3.1 36,-2.0 1,-0.2 2,-0.3 0.681 65.9 -32.7 -93.8 -32.1 29.1 78.2 75.7 49 50 A G E -bc 11 84A 0 -39,-1.5 -37,-1.3 34,-0.3 2,-0.3 -0.978 50.2-116.3-171.7-175.8 29.0 76.4 72.4 50 51 A V E -b 12 0A 0 34,-2.3 37,-0.5 -2,-0.3 2,-0.3 -0.864 14.1-150.8-136.1 169.4 30.3 75.4 69.0 51 52 A T E -bc 13 87A 0 -39,-1.7 -37,-2.5 -2,-0.3 2,-0.3 -0.883 13.9-164.0-137.4 166.7 29.4 75.8 65.4 52 53 A F E - c 0 88A 0 35,-0.7 37,-2.2 -2,-0.3 2,-0.4 -0.999 23.9-132.0-152.6 147.6 30.0 73.7 62.3 53 54 A H E >> - c 0 89A 14 -2,-0.3 3,-2.0 35,-0.2 4,-1.3 -0.796 45.5-109.7 -81.0 148.8 30.0 73.5 58.6 54 55 A D H >> S+ 0 0 14 35,-1.6 4,-2.5 -2,-0.4 3,-0.8 0.882 119.5 49.6 -36.6 -54.3 28.3 70.3 57.4 55 56 A D H 34 S+ 0 0 40 1,-0.3 5,-0.4 2,-0.2 -1,-0.3 0.526 102.4 60.9 -80.5 -5.8 31.6 68.8 56.3 56 57 A D H <4 S+ 0 0 51 -3,-2.0 -1,-0.3 3,-0.1 -2,-0.2 0.776 114.9 34.3 -77.5 -34.9 33.3 69.5 59.6 57 58 A L H << S+ 0 0 2 -4,-1.3 -2,-0.2 -3,-0.8 -3,-0.1 0.835 130.0 29.4 -90.8 -38.9 30.8 67.4 61.5 58 59 A I S < S- 0 0 7 -4,-2.5 -1,-0.3 -5,-0.2 3,-0.1 -0.986 92.6-116.1-125.0 116.6 30.2 64.7 58.9 59 60 A P > - 0 0 64 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.234 43.9 -93.4 -52.5 138.5 33.0 63.8 56.5 60 61 A F T 3 S+ 0 0 97 -5,-0.4 -5,-0.0 1,-0.3 -6,-0.0 -0.256 112.1 22.1 -52.0 133.0 32.0 64.7 52.9 61 62 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.576 86.1 160.3 85.8 10.7 30.5 61.6 51.1 62 63 A S < - 0 0 22 -3,-1.7 -1,-0.2 -4,-0.1 2,-0.1 -0.331 40.0-117.1 -65.4 145.9 29.5 59.8 54.3 63 64 A S > - 0 0 48 1,-0.1 4,-2.8 -2,-0.0 5,-0.2 -0.304 31.7-103.0 -70.6 165.6 26.9 57.1 54.2 64 65 A D H > S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.888 123.6 49.6 -59.8 -40.4 23.7 57.5 56.1 65 66 A S H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.908 111.3 48.3 -67.8 -40.4 24.9 55.1 58.8 66 67 A E H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.927 111.1 52.0 -62.6 -43.6 28.2 57.0 59.2 67 68 A R H X S+ 0 0 45 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.932 108.2 50.4 -56.3 -49.2 26.2 60.3 59.3 68 69 A E H X S+ 0 0 144 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.887 111.6 48.4 -58.8 -41.3 24.0 59.0 62.1 69 70 A E H X S+ 0 0 94 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.903 109.8 50.7 -70.4 -41.6 27.0 57.9 64.1 70 71 A H H X S+ 0 0 67 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.933 114.6 44.7 -58.7 -44.8 28.9 61.2 63.7 71 72 A V H X S+ 0 0 14 -4,-2.4 4,-3.0 -5,-0.2 -2,-0.2 0.917 111.1 53.5 -67.8 -41.3 25.8 63.1 64.8 72 73 A K H X S+ 0 0 139 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.923 110.5 46.3 -59.7 -45.5 25.1 60.7 67.7 73 74 A R H X S+ 0 0 113 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.899 113.7 48.7 -64.5 -40.6 28.6 61.1 69.1 74 75 A F H X S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.934 109.7 52.2 -63.8 -45.5 28.4 64.9 68.8 75 76 A R H X S+ 0 0 88 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.890 109.0 51.0 -55.5 -43.2 25.0 64.9 70.5 76 77 A Q H X S+ 0 0 101 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.896 108.2 51.5 -65.0 -39.3 26.5 62.9 73.4 77 78 A A H X S+ 0 0 5 -4,-1.9 4,-1.1 2,-0.2 6,-0.3 0.909 110.3 48.9 -64.1 -42.7 29.4 65.4 73.7 78 79 A L H >X>S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 5,-0.7 0.938 114.1 46.3 -58.3 -46.7 27.0 68.3 73.8 79 80 A D H 3<5S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.834 110.2 53.4 -66.0 -34.5 24.9 66.5 76.5 80 81 A D H 3<5S+ 0 0 115 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.718 123.0 27.6 -70.1 -24.2 28.1 65.5 78.5 81 82 A T H <<5S- 0 0 47 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.611 98.4-119.7-113.4 -22.5 29.2 69.2 78.6 82 83 A G T <5 + 0 0 50 -4,-2.5 -3,-0.2 1,-0.3 -4,-0.1 0.544 60.2 153.1 81.8 8.2 26.2 71.4 78.4 83 84 A M < - 0 0 5 -5,-0.7 -1,-0.3 -6,-0.3 -34,-0.3 -0.388 30.9-147.1 -71.0 149.3 27.5 73.0 75.2 84 85 A K E -c 49 0A 113 -36,-2.0 -34,-2.3 -3,-0.1 45,-0.1 -0.683 12.2-139.9-110.9 166.2 25.1 74.5 72.7 85 86 A V E + 0 0 4 43,-0.4 -34,-0.1 -2,-0.2 -36,-0.1 -0.822 29.5 164.7-124.1 87.5 25.1 74.8 68.9 86 87 A P E + 0 0 6 0, 0.0 45,-1.9 0, 0.0 46,-1.6 0.667 63.7 24.3 -82.8 -14.3 23.7 78.2 68.2 87 88 A M E +cd 51 132A 1 -37,-0.5 -35,-0.7 43,-0.2 2,-0.3 -0.994 57.6 178.0-148.8 145.8 24.8 78.5 64.5 88 89 A A E -cd 52 133A 0 44,-1.5 46,-2.3 -2,-0.3 2,-0.3 -0.935 6.6-174.0-142.0 171.8 25.7 76.2 61.6 89 90 A T E -cd 53 134A 5 -37,-2.2 -35,-1.6 -2,-0.3 2,-0.4 -0.911 24.1-104.7-156.4 172.6 26.7 76.7 58.0 90 91 A T - 0 0 8 44,-0.6 2,-1.1 -2,-0.3 46,-0.3 -0.872 23.3-127.4-109.7 142.5 27.5 74.9 54.7 91 92 A N + 0 0 10 -2,-0.4 4,-0.2 1,-0.1 44,-0.0 -0.800 42.7 155.5 -87.0 100.2 30.9 74.2 53.2 92 93 A L + 0 0 15 -2,-1.1 47,-0.3 44,-0.3 -1,-0.1 -0.148 66.1 53.7-111.3 35.4 30.4 75.6 49.7 93 94 A F S S+ 0 0 34 45,-0.1 -1,-0.1 46,-0.1 8,-0.1 0.627 89.1 61.3-140.6 -26.4 34.1 76.2 49.1 94 95 A T S S+ 0 0 93 3,-0.0 -2,-0.1 2,-0.0 5,-0.0 0.931 82.0 79.7 -79.7 -47.6 36.4 73.2 49.7 95 96 A H S > S- 0 0 66 -4,-0.2 3,-2.3 1,-0.1 4,-0.0 -0.379 84.1-124.5 -65.7 138.5 35.3 70.6 47.2 96 97 A P G > S+ 0 0 94 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.730 106.2 74.2 -57.2 -21.4 36.6 71.3 43.7 97 98 A V G 3 S+ 0 0 52 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.816 94.2 54.1 -59.0 -28.1 33.0 71.3 42.3 98 99 A F G X S+ 0 0 0 -3,-2.3 3,-2.1 1,-0.2 -1,-0.3 0.190 70.3 119.6 -90.3 19.3 32.7 74.7 43.9 99 100 A K T < S+ 0 0 148 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.738 86.4 31.5 -62.2 -24.1 35.7 76.2 42.2 100 101 A D T 3 S- 0 0 30 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.199 131.4 -75.3-110.9 15.1 33.6 78.8 40.5 101 102 A G < - 0 0 0 -3,-2.1 -1,-0.5 4,-0.2 39,-0.1 -0.503 27.6-116.1 121.9 167.0 31.1 79.2 43.3 102 103 A G S > S+ 0 0 0 -2,-0.2 3,-1.4 -3,-0.1 12,-0.2 0.647 107.6 17.4-100.8 -86.1 28.1 77.5 44.9 103 104 A F T 3 S+ 0 0 13 1,-0.3 57,-0.1 11,-0.1 8,-0.1 0.708 139.7 36.3 -64.7 -21.5 25.0 79.7 44.5 104 105 A T T 3 S+ 0 0 3 6,-0.1 -1,-0.3 53,-0.1 37,-0.1 0.166 80.2 138.9-120.3 18.7 26.7 81.7 41.7 105 106 A A < - 0 0 3 -3,-1.4 6,-0.2 1,-0.1 -4,-0.2 -0.309 60.3-127.4 -50.4 142.3 28.7 79.0 39.9 106 107 A N S S+ 0 0 95 -6,-0.2 2,-0.6 41,-0.1 -1,-0.1 0.874 94.3 81.8 -62.9 -34.6 28.4 79.5 36.1 107 108 A D S > S- 0 0 97 1,-0.2 4,-1.7 -6,-0.1 3,-0.5 -0.620 72.4-153.7 -74.5 119.8 27.3 75.9 35.9 108 109 A R H > S+ 0 0 150 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.864 92.8 58.2 -62.4 -38.0 23.6 75.6 36.7 109 110 A D H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 105.6 50.7 -62.6 -33.7 23.9 72.0 37.9 110 111 A V H > S+ 0 0 14 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.897 107.5 53.0 -68.7 -40.6 26.4 73.2 40.5 111 112 A R H X S+ 0 0 49 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.919 110.3 47.9 -59.6 -43.5 24.1 75.9 41.7 112 113 A R H X S+ 0 0 146 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.921 112.1 49.2 -64.1 -43.3 21.3 73.4 42.2 113 114 A Y H X S+ 0 0 86 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.912 107.3 55.1 -60.8 -44.4 23.6 71.0 44.0 114 115 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 -12,-0.2 -1,-0.2 0.910 109.0 48.4 -56.4 -43.9 24.8 73.9 46.3 115 116 A L H X S+ 0 0 24 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.918 111.8 48.3 -63.1 -45.1 21.2 74.6 47.2 116 117 A R H X S+ 0 0 183 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.907 111.4 50.3 -62.3 -40.4 20.5 70.9 48.0 117 118 A K H X S+ 0 0 16 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.915 112.7 47.3 -63.2 -43.0 23.6 70.6 50.1 118 119 A T H X S+ 0 0 2 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.941 110.3 51.5 -62.8 -49.2 22.6 73.7 52.0 119 120 A I H X S+ 0 0 36 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.906 106.2 54.8 -58.6 -43.0 19.0 72.6 52.6 120 121 A R H X S+ 0 0 122 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.905 111.5 44.9 -56.3 -42.1 20.2 69.2 53.9 121 122 A N H X S+ 0 0 1 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.798 103.6 62.1 -78.7 -25.6 22.3 70.9 56.5 122 123 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.934 103.7 51.9 -59.5 -44.0 19.6 73.4 57.5 123 124 A D H X S+ 0 0 58 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.923 112.2 44.7 -57.4 -45.4 17.6 70.5 58.6 124 125 A L H X S+ 0 0 7 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.904 109.9 55.1 -66.7 -42.4 20.5 69.2 60.7 125 126 A A H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-0.4 0.921 109.0 47.9 -55.8 -46.4 21.2 72.6 62.2 126 127 A V H ><5S+ 0 0 47 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.927 109.0 53.9 -61.7 -44.3 17.6 72.9 63.3 127 128 A E H 3<5S+ 0 0 134 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.861 109.4 48.8 -55.8 -37.1 17.8 69.4 64.9 128 129 A L T 3<5S- 0 0 8 -4,-2.0 -43,-0.4 -5,-0.1 -1,-0.3 0.402 124.5-102.2 -89.7 2.0 20.9 70.4 66.8 129 130 A G T < 5 + 0 0 56 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.564 59.6 164.3 97.2 11.9 19.3 73.6 68.1 130 131 A A < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 -43,-0.2 -0.393 22.9-172.2 -70.4 139.4 20.8 76.4 65.9 131 132 A E S S+ 0 0 81 -45,-1.9 45,-1.8 1,-0.2 2,-0.4 0.607 73.0 44.6 -96.5 -19.9 19.1 79.8 65.8 132 133 A T E -de 87 176A 2 -46,-1.6 -44,-1.5 43,-0.2 2,-0.5 -0.982 61.1-159.2-133.7 140.1 21.3 81.2 62.9 133 134 A Y E -de 88 177A 3 43,-2.8 45,-2.2 -2,-0.4 2,-0.2 -0.975 19.9-152.1-121.3 112.1 22.4 79.7 59.6 134 135 A V E -de 89 178A 2 -46,-2.3 -44,-0.6 -2,-0.5 2,-0.4 -0.594 8.1-163.7 -86.7 146.2 25.5 81.4 58.2 135 136 A A E + e 0 179A 17 43,-2.4 45,-2.7 -2,-0.2 2,-0.6 -0.944 8.2 178.8-129.8 111.7 26.3 81.7 54.5 136 137 A W - 0 0 40 -2,-0.4 2,-2.0 -46,-0.3 -44,-0.3 -0.931 13.3-161.1-110.1 105.4 29.8 82.6 53.5 137 138 A G > + 0 0 26 -2,-0.6 3,-1.6 43,-0.4 54,-0.3 -0.440 26.5 159.6 -85.3 66.6 30.0 82.6 49.7 138 139 A G T 3 S+ 0 0 0 -2,-2.0 49,-0.7 1,-0.3 -1,-0.2 0.706 72.4 46.3 -65.8 -22.8 33.8 82.4 49.6 139 140 A R T 3 S+ 0 0 69 -47,-0.3 2,-0.7 -3,-0.2 -1,-0.3 0.372 84.2 107.8 -98.0 1.5 33.9 81.0 46.0 140 141 A E < + 0 0 8 -3,-1.6 51,-2.4 51,-0.1 2,-0.3 -0.726 68.6 41.1 -84.0 113.8 31.4 83.6 44.6 141 142 A G E S-K 190 0C 1 -2,-0.7 2,-0.3 -41,-0.4 49,-0.2 -0.994 75.4 -96.3 151.5-147.0 33.4 86.0 42.5 142 143 A A E -K 189 0C 15 47,-2.0 47,-1.5 -2,-0.3 3,-0.1 -0.992 10.7-145.2-166.7 158.6 36.2 86.0 39.9 143 144 A E S S+ 0 0 120 -2,-0.3 2,-0.3 45,-0.2 -1,-0.1 0.573 93.7 36.8-101.5 -20.3 39.8 86.5 39.1 144 145 A S S > S- 0 0 76 45,-0.1 3,-0.6 1,-0.1 4,-0.4 -0.920 80.3-119.4-138.0 157.9 39.1 88.0 35.6 145 146 A G G > S+ 0 0 77 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.804 106.2 48.8 -73.2 -33.0 36.5 90.4 34.3 146 147 A G G 3 S+ 0 0 86 1,-0.2 -1,-0.2 3,-0.1 3,-0.1 0.662 96.3 73.8 -80.2 -15.7 34.8 88.2 31.6 147 148 A A G < S+ 0 0 37 -3,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.679 101.5 33.0 -71.7 -24.4 34.4 85.2 33.8 148 149 A K < - 0 0 13 -3,-0.6 2,-0.8 -4,-0.4 -1,-0.2 -0.931 60.7-154.0-146.3 110.7 31.5 86.6 35.9 149 150 A D > - 0 0 67 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 -0.803 20.3-156.2 -81.1 112.2 28.7 88.9 34.9 150 151 A V H > S+ 0 0 71 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.868 87.4 53.2 -70.4 -36.7 28.0 90.4 38.3 151 152 A R H > S+ 0 0 188 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 112.8 45.8 -59.2 -45.7 24.4 91.4 37.6 152 153 A D H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 112.4 51.1 -62.0 -42.8 23.6 87.9 36.5 153 154 A A H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.903 108.9 50.4 -61.7 -40.7 25.5 86.5 39.5 154 155 A L H X S+ 0 0 57 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.880 107.4 54.5 -66.2 -35.6 23.4 88.7 41.9 155 156 A D H X S+ 0 0 86 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.932 111.9 44.5 -58.5 -46.2 20.2 87.4 40.2 156 157 A R H X S+ 0 0 77 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.881 112.1 52.1 -65.6 -37.9 21.4 83.9 40.9 157 158 A M H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.941 111.1 46.6 -64.4 -47.2 22.4 84.8 44.4 158 159 A K H X S+ 0 0 50 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.917 110.3 53.7 -59.1 -44.9 19.0 86.3 45.1 159 160 A E H X S+ 0 0 99 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.903 110.9 47.1 -56.8 -42.4 17.3 83.3 43.6 160 161 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.949 113.9 44.7 -66.1 -52.2 19.2 81.0 45.9 161 162 A F H X S+ 0 0 9 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.892 112.2 53.2 -63.9 -36.2 18.6 83.0 49.1 162 163 A D H X S+ 0 0 28 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.923 108.7 49.8 -62.6 -42.8 14.9 83.4 48.2 163 164 A L H X S+ 0 0 68 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.897 109.6 51.2 -61.7 -40.8 14.6 79.6 47.8 164 165 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.890 110.4 49.4 -64.1 -38.5 16.2 79.0 51.2 165 166 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.908 110.2 50.3 -64.1 -43.3 13.7 81.5 52.7 166 167 A E H X S+ 0 0 116 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 111.0 51.5 -58.2 -42.3 10.9 79.7 51.1 167 168 A Y H X S+ 0 0 43 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.957 110.0 44.9 -63.6 -52.8 12.3 76.4 52.4 168 169 A V H X>S+ 0 0 1 -4,-2.5 5,-2.1 1,-0.2 4,-0.5 0.909 114.7 50.3 -62.6 -36.6 12.6 77.5 56.1 169 170 A T H ><5S+ 0 0 79 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.924 107.4 53.9 -64.4 -42.6 9.1 79.0 55.9 170 171 A S H 3<5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 111.7 45.3 -62.8 -28.3 7.6 75.9 54.4 171 172 A Q H 3<5S- 0 0 94 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.468 110.2-120.8 -93.1 -4.8 9.1 73.8 57.3 172 173 A G T <<5 + 0 0 60 -3,-1.2 -3,-0.2 -4,-0.5 2,-0.1 0.742 55.0 162.4 69.3 24.6 8.0 76.2 60.0 173 174 A Y < - 0 0 57 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.466 38.3-152.4 -76.4 148.4 11.5 76.7 61.2 174 175 A D + 0 0 155 -2,-0.1 -1,-0.1 2,-0.1 -5,-0.1 0.467 56.9 121.6 -92.8 -4.7 12.5 79.7 63.3 175 176 A I - 0 0 6 -7,-0.1 2,-0.3 -45,-0.1 -43,-0.2 -0.268 47.5-155.5 -64.2 144.5 16.1 79.8 62.1 176 177 A R E -e 132 0A 101 -45,-1.8 -43,-2.8 65,-0.1 2,-0.3 -0.856 13.0-117.5-119.3 158.6 17.4 83.0 60.4 177 178 A F E -ef 133 211A 1 33,-2.8 35,-2.5 -2,-0.3 2,-0.4 -0.699 17.1-164.9 -98.1 147.7 20.1 83.5 57.9 178 179 A A E -ef 134 212A 0 -45,-2.2 -43,-2.4 -2,-0.3 2,-0.4 -0.958 12.1-149.2-133.9 114.3 23.3 85.6 58.3 179 180 A I E -ef 135 213A 5 33,-2.9 35,-2.2 -2,-0.4 -43,-0.2 -0.694 9.9-148.5 -86.1 129.1 25.3 86.5 55.2 180 181 A E - 0 0 13 -45,-2.7 -43,-0.4 -2,-0.4 2,-0.1 -0.872 10.1-153.9-104.5 110.1 29.0 86.8 55.7 181 182 A P + 0 0 0 0, 0.0 35,-0.3 0, 0.0 14,-0.1 -0.434 17.5 171.3 -76.6 155.9 30.8 89.3 53.5 182 183 A K - 0 0 10 10,-0.9 8,-0.2 9,-0.3 12,-0.1 -0.914 28.0-142.5-157.7 141.9 34.5 89.0 52.6 183 184 A P S S- 0 0 12 0, 0.0 7,-2.2 0, 0.0 2,-0.3 0.853 73.4 -22.9 -81.4 -31.9 36.3 91.2 50.0 184 185 A N S S+ 0 0 56 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.949 73.1 113.1-165.2 166.1 38.7 88.6 48.5 185 186 A E S S+ 0 0 60 2,-2.7 -1,-0.2 -2,-0.3 3,-0.1 0.908 88.3 22.8 79.3 102.2 40.4 85.3 49.2 186 187 A P S S+ 0 0 52 0, 0.0 2,-0.2 0, 0.0 -47,-0.1 -0.956 129.5 45.6 -93.3 -9.4 40.0 82.6 47.9 187 188 A R S S- 0 0 16 -49,-0.7 -2,-2.7 -47,-0.1 3,-0.2 -0.624 88.1-117.6 -87.5 155.4 38.6 84.5 44.8 188 189 A G S S+ 0 0 38 1,-0.3 2,-0.3 -2,-0.2 -45,-0.2 0.881 105.8 6.5 -56.3 -42.5 40.4 87.5 43.4 189 190 A D E S-K 142 0C 117 -47,-1.5 -47,-2.0 -5,-0.1 2,-0.3 -0.969 80.0-147.8-137.7 134.0 37.3 89.5 44.3 190 191 A I E -K 141 0C 8 -7,-2.2 -49,-0.3 -2,-0.3 2,-0.1 -0.787 23.1-112.6-100.6 141.2 34.3 88.0 46.2 191 192 A L S S+ 0 0 27 -51,-2.4 -9,-0.3 -2,-0.3 -54,-0.1 -0.471 103.4 26.4 -71.3 147.0 30.7 89.1 45.6 192 193 A L S S- 0 0 18 -2,-0.1 -10,-0.9 -11,-0.1 -1,-0.2 0.986 80.7-179.7 58.3 64.0 29.1 91.0 48.5 193 194 A P + 0 0 33 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 0.633 53.1 24.4 -77.5 -15.0 32.6 92.1 49.6 194 195 A T S > S- 0 0 19 -12,-0.1 4,-2.2 -11,-0.1 5,-0.2 -0.919 86.8 -96.8-141.1 167.5 31.7 94.2 52.7 195 196 A V H > S+ 0 0 2 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.875 122.3 54.8 -50.4 -43.7 29.0 94.6 55.3 196 197 A G H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.938 106.7 48.3 -61.3 -46.9 27.5 97.4 53.3 197 198 A H H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 113.5 48.1 -61.6 -40.2 27.2 95.3 50.1 198 199 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.927 111.2 49.8 -66.9 -44.7 25.6 92.4 52.0 199 200 A L H X S+ 0 0 13 -4,-2.7 4,-1.2 -5,-0.2 -2,-0.2 0.899 112.0 49.1 -57.7 -42.0 23.1 94.8 53.8 200 201 A A H < S+ 0 0 64 -4,-2.5 4,-0.4 -5,-0.2 3,-0.3 0.914 110.2 50.6 -65.7 -43.3 22.2 96.3 50.4 201 202 A F H >< S+ 0 0 20 -4,-2.2 3,-2.0 1,-0.2 4,-0.4 0.903 103.5 59.0 -59.7 -43.6 21.6 92.9 48.8 202 203 A I H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.857 95.0 64.7 -57.0 -36.1 19.4 91.7 51.6 203 204 A E T 3< S+ 0 0 105 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.669 100.2 52.5 -64.9 -14.9 17.0 94.6 50.9 204 205 A R T < S+ 0 0 188 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.451 86.1 105.8 -98.4 -3.1 16.2 93.1 47.5 205 206 A L S < S- 0 0 6 -3,-1.8 4,-0.1 -4,-0.4 -46,-0.1 -0.361 81.1-117.8 -72.6 157.6 15.4 89.6 48.8 206 207 A E S S+ 0 0 132 1,-0.3 3,-0.1 -48,-0.2 -1,-0.1 0.901 110.1 25.4 -65.1 -39.7 11.7 88.6 48.9 207 208 A R S > S+ 0 0 70 1,-0.1 3,-2.2 -5,-0.0 -1,-0.3 -0.674 71.6 173.8-123.9 73.9 11.6 88.3 52.7 208 209 A P G > S+ 0 0 31 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.754 70.0 72.4 -59.2 -25.2 14.3 90.5 53.9 209 210 A E G 3 S+ 0 0 116 1,-0.3 -6,-0.0 -3,-0.1 -7,-0.0 0.701 90.0 61.3 -61.6 -20.2 13.3 90.0 57.6 210 211 A L G < S+ 0 0 31 -3,-2.2 -33,-2.8 -34,-0.1 2,-0.4 0.504 99.9 67.0 -82.8 -4.6 14.8 86.5 57.4 211 212 A Y E < +f 177 0A 1 -3,-1.9 -33,-0.2 -4,-0.2 2,-0.2 -0.961 49.2 151.1-130.1 135.8 18.3 87.7 56.6 212 213 A G E -f 178 0A 0 -35,-2.5 -33,-2.9 -2,-0.4 2,-0.3 -0.624 41.8 -83.6-133.7-163.5 21.0 89.6 58.4 213 214 A V E -fg 179 240A 0 26,-2.9 29,-1.2 -35,-0.3 28,-1.1 -0.799 12.8-159.5-111.0 153.7 24.8 89.8 58.4 214 215 A N - 0 0 0 -35,-2.2 29,-0.2 -2,-0.3 2,-0.1 -0.778 27.8-168.0-121.4 78.6 27.6 87.8 60.0 215 216 A P - 0 0 0 0, 0.0 29,-2.8 0, 0.0 2,-0.4 -0.445 8.3-148.5 -72.7 148.4 30.5 90.2 59.8 216 217 A E B >> -h 244 0A 0 -35,-0.3 4,-1.7 27,-0.2 3,-0.6 -0.969 13.4-133.8-118.8 131.4 34.0 89.1 60.5 217 218 A V H 3> S+ 0 0 9 27,-2.1 4,-1.7 -2,-0.4 3,-0.2 0.905 105.0 43.5 -46.0 -57.6 36.6 91.4 62.1 218 219 A G H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.802 106.2 62.2 -67.0 -28.6 39.4 90.5 59.7 219 220 A H H <4 S+ 0 0 4 -3,-0.6 4,-0.4 2,-0.2 3,-0.4 0.942 107.2 41.8 -64.2 -48.9 37.2 90.6 56.6 220 221 A E H ><>S+ 0 0 6 -4,-1.7 5,-2.2 1,-0.2 3,-1.5 0.900 112.6 55.7 -65.8 -36.0 36.3 94.2 56.8 221 222 A Q H ><5S+ 0 0 16 -4,-1.7 3,-1.7 -5,-0.3 -1,-0.2 0.773 94.4 68.4 -67.4 -23.6 39.9 95.0 57.8 222 223 A M T 3<5S+ 0 0 5 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.625 103.8 44.8 -66.6 -15.0 41.1 93.3 54.5 223 224 A A T < 5S- 0 0 44 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.228 121.6-112.2-106.3 10.3 39.4 96.2 52.8 224 225 A G T < 5S+ 0 0 51 -3,-1.7 -3,-0.2 1,-0.2 2,-0.1 0.677 70.4 146.3 68.7 18.1 41.0 98.7 55.3 225 226 A L < - 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0 0 25 -4,-1.0 4,-2.6 -3,-0.9 3,-0.6 -0.561 64.1-146.3 -73.8 121.1 33.9 107.4 84.4 323 324 A P H 3> S+ 0 0 94 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.826 100.7 56.3 -57.1 -30.5 32.4 110.8 85.3 324 325 A E H 3> S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.877 109.2 45.6 -68.1 -37.4 35.5 112.5 83.8 325 326 A V H <> S+ 0 0 0 -3,-0.6 4,-2.8 2,-0.2 5,-0.2 0.902 109.8 54.8 -67.5 -41.6 34.8 110.7 80.5 326 327 A Q H X S+ 0 0 82 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.919 109.8 47.3 -60.0 -40.6 31.1 111.6 80.7 327 328 A E H X S+ 0 0 113 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.912 111.3 50.9 -63.7 -42.9 32.2 115.2 81.0 328 329 A A H X S+ 0 0 5 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.865 106.5 54.8 -64.3 -37.4 34.6 114.9 78.1 329 330 A L H <>S+ 0 0 28 -4,-2.8 5,-2.5 2,-0.2 6,-0.4 0.907 110.3 46.0 -62.6 -41.7 31.8 113.4 75.9 330 331 A R H ><5S+ 0 0 141 -4,-1.8 3,-1.6 -5,-0.2 -2,-0.2 0.908 109.2 54.9 -64.5 -40.7 29.7 116.4 76.7 331 332 A A H 3<5S+ 0 0 52 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.838 110.4 46.8 -61.6 -31.1 32.7 118.7 75.9 332 333 A S T 3<5S- 0 0 3 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.349 115.6-119.1 -91.6 3.8 32.9 116.9 72.5 333 334 A R T <>5 + 0 0 52 -3,-1.6 4,-2.0 -4,-0.1 -3,-0.2 0.723 65.0 144.2 64.7 30.7 29.1 117.3 71.9 334 335 A L H >4 S+ 0 0 65 -6,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.914 105.6 49.2 -62.5 -42.3 25.1 114.5 73.5 336 337 A E H >4 S+ 0 0 107 1,-0.2 3,-2.1 2,-0.2 -2,-0.2 0.894 102.0 61.6 -64.2 -39.8 24.3 116.9 70.7 337 338 A L H 3< S+ 0 0 141 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.835 102.6 53.1 -54.2 -32.7 25.0 114.3 68.0 338 339 A A T << S+ 0 0 87 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.438 93.9 87.2 -85.1 -2.3 22.2 112.2 69.5 339 340 A R S < S- 0 0 133 -3,-2.1 -3,-0.0 -4,-0.2 0, 0.0 -0.799 91.3 -96.5 -97.5 142.4 19.6 115.0 69.3 340 341 A P - 0 0 103 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.206 22.5-139.1 -55.1 142.9 17.6 115.6 66.2 341 342 A T S S+ 0 0 144 1,-0.2 3,-0.1 -4,-0.1 -3,-0.0 0.880 92.6 4.3 -65.4 -42.4 18.8 118.2 63.7 342 343 A A > + 0 0 33 1,-0.1 3,-2.0 2,-0.0 -1,-0.2 -0.363 62.3 152.4-151.5 62.1 15.4 119.6 62.9 343 344 A A T 3 S+ 0 0 93 -3,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.694 77.1 72.0 -63.8 -17.7 12.5 118.1 64.9 344 345 A D T 3 S- 0 0 96 1,-0.2 4,-0.4 -3,-0.1 -1,-0.3 0.656 109.8-121.9 -69.8 -16.5 11.0 121.6 64.3 345 346 A G <> - 0 0 29 -3,-2.0 4,-2.2 1,-0.1 -1,-0.2 -0.073 25.4 -65.8 96.4 166.4 10.5 120.5 60.7 346 347 A L H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.901 127.1 48.2 -59.8 -49.5 11.6 121.7 57.3 347 348 A Q H > S+ 0 0 116 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 111.9 50.5 -63.1 -40.8 9.6 125.0 57.1 348 349 A A H > S+ 0 0 35 -4,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.903 110.7 49.8 -61.3 -40.5 10.9 126.0 60.6 349 350 A L H >< S+ 0 0 69 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.929 110.5 49.6 -62.9 -45.5 14.4 125.2 59.5 350 351 A L H 3< S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.830 114.6 45.3 -60.9 -32.9 14.0 127.3 56.3 351 352 A D H 3< S+ 0 0 109 -4,-2.0 2,-1.0 -5,-0.2 -1,-0.2 0.444 88.0 104.0 -90.3 -3.3 12.6 130.2 58.4 352 353 A D X< - 0 0 56 -3,-1.0 3,-1.9 -4,-0.6 4,-0.3 -0.699 49.1-171.2 -88.4 102.2 15.3 129.9 61.1 353 354 A R G > >S+ 0 0 126 -2,-1.0 5,-3.3 1,-0.3 3,-1.4 0.781 83.3 67.7 -64.4 -24.0 17.7 132.8 60.6 354 355 A S G 3 5S+ 0 0 69 1,-0.3 -1,-0.3 3,-0.2 6,-0.1 0.645 95.6 58.5 -68.5 -12.7 20.1 131.3 63.2 355 356 A A G < 5S- 0 0 42 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.492 133.0 -19.6 -94.3 -7.5 20.6 128.4 60.8 356 357 A F T X 5S+ 0 0 166 -3,-1.4 3,-1.5 -4,-0.3 5,-0.1 0.179 128.0 51.2-156.0 -70.1 22.0 130.6 57.9 357 358 A E T 3 5S+ 0 0 104 1,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.803 128.9 22.8 -57.6 -34.9 21.4 134.3 57.7 358 359 A E T 3 + 0 0 98 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.660 24.9 177.6 -85.1 90.1 28.2 132.8 63.0 361 362 A V H > S+ 0 0 87 -2,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.858 76.4 54.7 -64.8 -34.7 30.2 130.3 61.1 362 363 A D H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 107.9 48.0 -68.4 -41.7 33.5 131.7 62.4 363 364 A A H > S+ 0 0 49 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.924 114.4 47.1 -63.3 -42.2 32.5 131.3 66.0 364 365 A A H >< S+ 0 0 20 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.941 111.0 51.8 -63.8 -44.8 31.3 127.7 65.3 365 366 A A H 3< S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.0 58.2 -60.6 -33.7 34.5 126.9 63.4 366 367 A A H 3< S+ 0 0 83 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.3 0.676 81.1 101.4 -72.1 -17.9 36.7 128.1 66.3 367 368 A R S << S- 0 0 141 -3,-1.3 2,-0.0 -4,-0.7 -4,-0.0 -0.570 72.1-136.3 -73.2 113.7 35.1 125.7 68.8 368 369 A G - 0 0 58 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.1 -0.345 3.8-137.8 -65.6 150.1 37.5 122.8 69.3 369 370 A M - 0 0 77 1,-0.0 -1,-0.1 -36,-0.0 -2,-0.0 0.650 22.5-142.9 -81.6 -16.9 36.0 119.3 69.3 370 371 A A > + 0 0 48 1,-0.1 4,-1.6 3,-0.1 -38,-0.1 0.746 52.7 141.0 59.6 29.0 38.2 118.2 72.2 371 372 A F H > + 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.796 61.3 58.0 -72.0 -30.0 38.5 114.7 70.6 372 373 A E H > S+ 0 0 154 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 106.5 47.2 -69.8 -41.6 42.1 114.2 71.5 373 374 A R H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.930 113.8 49.7 -60.8 -45.0 41.5 114.6 75.3 374 375 A L H X S+ 0 0 21 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.928 111.8 48.0 -57.7 -46.3 38.6 112.2 74.9 375 376 A D H X S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.827 108.5 53.1 -69.4 -31.7 40.7 109.7 73.0 376 377 A Q H X S+ 0 0 98 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.866 106.8 52.8 -73.0 -31.9 43.6 109.9 75.5 377 378 A L H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 110.1 49.6 -61.1 -40.4 41.1 109.1 78.3 378 379 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.904 111.5 48.0 -63.6 -42.9 40.0 106.1 76.2 379 380 A M H X S+ 0 0 49 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.927 110.5 51.4 -61.3 -46.6 43.7 105.1 75.8 380 381 A D H X>S+ 0 0 38 -4,-2.8 5,-3.0 1,-0.2 4,-0.6 0.905 111.6 47.6 -60.5 -42.0 44.3 105.5 79.5 381 382 A H H ><5S+ 0 0 20 -4,-2.3 3,-0.8 3,-0.2 -1,-0.2 0.931 111.4 50.0 -63.8 -45.4 41.3 103.3 80.3 382 383 A L H 3<5S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.917 116.8 41.1 -58.0 -44.3 42.3 100.6 77.8 383 384 A L H 3<5S- 0 0 109 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.455 109.7-118.2 -86.1 -1.0 45.8 100.4 79.2 384 385 A G T <<5S+ 0 0 57 -3,-0.8 -3,-0.2 -4,-0.6 -4,-0.1 0.941 74.9 130.4 61.3 44.5 44.8 100.7 82.9 385 386 A A < 0 0 56 -5,-3.0 -4,-0.2 -6,-0.2 -1,-0.1 -0.243 360.0 360.0-123.8 38.5 46.8 103.9 83.2 386 387 A R 0 0 133 -6,-0.3 -9,-0.0 -5,-0.1 -5,-0.0 -0.461 360.0 360.0 -88.3 360.0 44.2 106.1 84.8